(E)-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-(4-fluorophenyl)prop-2-enamide
Formula:C18H12N2OClFS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-(4-fluorophenyl)prop-2-enamide is not a drug-like molecule.
| MolName | (E)-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-(4-fluorophenyl)prop-2-enamide |
| MolecularFormula | C18H12N2OClFS |
| Smiles | O=C(/C=C/c(cc1)ccc1F)Nc1nc(-c(cc2)ccc2Cl)cs1 |
| InChI | InChI=1S/C18H12ClFN2OS/c19-14-6-4-13(5-7-14)16-11-24-18(21-16)22-17(23)10-3-12-1-8-15(20)9-2-12/h1-11H,(H,21,22,23) |
| InChIK | GKBLNZXUJDFGJQ-UHFFFAOYSA-N |
| TotalMolweight | 358.823 |
| Molweight | 358.823 |
| MonoisotopicMass | 358.034288 |
| CLogP | 5.2186 |
| CLogS | -6.059 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 264.96 |
| Relative PSA | 0.21071 |
| PolarSurfaceArea | 70.23 |
| Druglikeness | 0.06499 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | limit! thiazol-2-ylamine |
| Shape Index | 0.70833 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Symmetricatoms | 4 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - (E)-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-(4-fluorophenyl)prop-2-enamide | 2 - (E)-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-(4-fluorophenyl)prop-2-enamide
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